Found 61 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353042
(CHEMBL1822521)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353041
(CHEMBL1822520)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353048
(CHEMBL1822527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353044
(CHEMBL1822523)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C29H36N8O2/c1-33-12-16-35(17-13-33)36-18-14-34(15-19-36)22-8-10-25(28(20-22)39-3)31-29-30-21-23-9-11-26(37(23)32-29)24-6-4-5-7-27(24)38-2/h4-11,20-21H,12-19H2,1-3H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353043
(CHEMBL1822522)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353045
(CHEMBL1822524)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N7O3S/c1-30-13-15-32(16-14-30)19-9-11-22(25(17-19)36-3)28-26-27-18-20-10-12-24(33(20)29-26)21-7-5-6-8-23(21)31(2)37(4,34)35/h5-12,17-18H,13-16H2,1-4H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353040
(CHEMBL1822519)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)18-8-10-21(24(16-18)33-3)27-25-26-17-19-9-11-22(31(19)28-25)20-6-4-5-7-23(20)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353047
(CHEMBL1822526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353051
(CHEMBL1822514)Show SMILES COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1 Show InChI InChI=1S/C25H27N5O/c1-31-16-15-29-13-11-19-7-8-22(17-21(19)12-14-29)27-25-26-18-23-9-10-24(30(23)28-25)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353056
(CHEMBL1822513)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1 Show InChI InChI=1S/C23H24N6/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)25-23-24-17-21-11-12-22(29(21)26-23)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353051
(CHEMBL1822514)Show SMILES COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1 Show InChI InChI=1S/C25H27N5O/c1-31-16-15-29-13-11-19-7-8-22(17-21(19)12-14-29)27-25-26-18-23-9-10-24(30(23)28-25)20-5-3-2-4-6-20/h2-10,17-18H,11-16H2,1H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353056
(CHEMBL1822513)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1 Show InChI InChI=1S/C23H24N6/c1-27-13-15-28(16-14-27)20-9-7-19(8-10-20)25-23-24-17-21-11-12-22(29(21)26-23)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353048
(CHEMBL1822527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353044
(CHEMBL1822523)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C29H36N8O2/c1-33-12-16-35(17-13-33)36-18-14-34(15-19-36)22-8-10-25(28(20-22)39-3)31-29-30-21-23-9-11-26(37(23)32-29)24-6-4-5-7-27(24)38-2/h4-11,20-21H,12-19H2,1-3H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353047
(CHEMBL1822526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m1/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353042
(CHEMBL1822521)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353043
(CHEMBL1822522)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31) | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353040
(CHEMBL1822519)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)18-8-10-21(24(16-18)33-3)27-25-26-17-19-9-11-22(31(19)28-25)20-6-4-5-7-23(20)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,27,28) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353041
(CHEMBL1822520)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
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PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353042
(CHEMBL1822521)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1 | PDB
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PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353050
(CHEMBL1822512)Show SMILES C1CN(CCO1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1 Show InChI InChI=1S/C22H21N5O/c1-2-4-17(5-3-1)21-11-10-20-16-23-22(25-27(20)21)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h1-11,16H,12-15H2,(H,24,25) | PDB
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| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353045
(CHEMBL1822524)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N7O3S/c1-30-13-15-32(16-14-30)19-9-11-22(25(17-19)36-3)28-26-27-18-20-10-12-24(33(20)29-26)21-7-5-6-8-23(21)31(2)37(4,34)35/h5-12,17-18H,13-16H2,1-4H3,(H,28,29) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353041
(CHEMBL1822520)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1 | PDB
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PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353049
(CHEMBL1822511)Show SMILES COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC Show InChI InChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24) | PDB
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| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353055
(CHEMBL1822518)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4NS(C)(=O)=O)n3n2)cc1 Show InChI InChI=1S/C24H27N7O2S/c1-29-13-15-30(16-14-29)19-9-7-18(8-10-19)26-24-25-17-20-11-12-23(31(20)27-24)21-5-3-4-6-22(21)28-34(2,32)33/h3-12,17,28H,13-16H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353044
(CHEMBL1822523)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C29H36N8O2/c1-33-12-16-35(17-13-33)36-18-14-34(15-19-36)22-8-10-25(28(20-22)39-3)31-29-30-21-23-9-11-26(37(23)32-29)24-6-4-5-7-27(24)38-2/h4-11,20-21H,12-19H2,1-3H3,(H,31,32) | PDB
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| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353049
(CHEMBL1822511)Show SMILES COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC Show InChI InChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24) | PDB
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| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353053
(CHEMBL1822516)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4C(N)=O)n3n2)cc1 Show InChI InChI=1S/C24H25N7O/c1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)27-24-26-16-19-10-11-22(31(19)28-24)20-4-2-3-5-21(20)23(25)32/h2-11,16H,12-15H2,1H3,(H2,25,32)(H,27,28) | PDB
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| n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353043
(CHEMBL1822522)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1 Show InChI InChI=1S/C28H33N7O3/c1-36-26-6-4-3-5-23(26)25-10-8-22-20-29-28(31-35(22)25)30-24-9-7-21(19-27(24)37-2)32-11-13-33(14-12-32)34-15-17-38-18-16-34/h3-10,19-20H,11-18H2,1-2H3,(H,30,31) | PDB
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PubMed
| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
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PubMed
| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353040
(CHEMBL1822519)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)18-8-10-21(24(16-18)33-3)27-25-26-17-19-9-11-22(31(19)28-25)20-6-4-5-7-23(20)32-2/h4-11,16-17H,12-15H2,1-3H3,(H,27,28) | PDB
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| n/a | n/a | 391 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353053
(CHEMBL1822516)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4C(N)=O)n3n2)cc1 Show InChI InChI=1S/C24H25N7O/c1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)27-24-26-16-19-10-11-22(31(19)28-24)20-4-2-3-5-21(20)23(25)32/h2-11,16H,12-15H2,1H3,(H2,25,32)(H,27,28) | PDB
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| n/a | n/a | 726 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353048
(CHEMBL1822527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 809 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353054
(CHEMBL1822517)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4S(C)(=O)=O)n3n2)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 883 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353045
(CHEMBL1822524)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N7O3S/c1-30-13-15-32(16-14-30)19-9-11-22(25(17-19)36-3)28-26-27-18-20-10-12-24(33(20)29-26)21-7-5-6-8-23(21)31(2)37(4,34)35/h5-12,17-18H,13-16H2,1-4H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 934 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353047
(CHEMBL1822526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353055
(CHEMBL1822518)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4NS(C)(=O)=O)n3n2)cc1 Show InChI InChI=1S/C24H27N7O2S/c1-29-13-15-30(16-14-29)19-9-7-18(8-10-19)26-24-25-17-20-11-12-23(31(20)27-24)21-5-3-4-6-22(21)28-34(2,32)33/h3-12,17,28H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353050
(CHEMBL1822512)Show SMILES C1CN(CCO1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1 Show InChI InChI=1S/C22H21N5O/c1-2-4-17(5-3-1)21-11-10-20-16-23-22(25-27(20)21)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h1-11,16H,12-15H2,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50353054
(CHEMBL1822517)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4S(C)(=O)=O)n3n2)cc1 Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IR |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by patch clamp assay |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50353052
(CHEMBL1822515)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12 Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50353039
(CHEMBL1821735)Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 54: 6328-41 (2011)
Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F |
More data for this
Ligand-Target Pair | |
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